A team of chemists from HSE University and the Zelinsky Institute of Organic Chemistry used molecular modelling to find out that two medications that have been known for a long time can be used to fight SARS-CoV-2. These are disulfiram, which is used to treat alcoholism, and neratinib, an experimental drug being used to treat breast cancer. The paper about the discovery has been published online in the 4th issue of Mendeleev Communications journal.The structural elements of the virus that are less subject to mutation during its evolution should be chosen as a target for the potential treatment. Otherwise, a medication effective against one strain would no longer be effective against another. The best candidates for this are conservative proteins, such as the SARS-CoV-2 virus main protease M pro. In addition to being resistant to mutations, M pro plays a major role in coronavirusreplication, which means that its inhibition (blocking its function) is able to slow down or even completely stop its reproduction inside the body.Usually, the process of docking, as with a port dock and a ship entering it, is used for molecular modelling in simple cases. Two molecules participate in docking. One is called a 'ligand' (here, it is a medicine), and the other one is 'receptor' (or active site) of the target protein, such as Mpro, which can be used to 'dock'. An effective drug docks with the active site, by covalent links, which makes the enzyme dysfunctional or destroys it. But classical docking does not work in SARS-CoV-2.To overcome this problem, chemists from HSE University and the Zelinsky Institute decided to use 'on-top docking', which they came up with shortly before the pandemic. 'We decided not to focus on the previously described active site, but to investigate the whole surface of M pro protein with many medications, hoping that the big calculation powers would return useful "dockings",' - said Igor Svitanko, the author of the article,Professor at the HSE Joint Department of Organic Chemistry with the RAS Zelinsky Institute of Organic Chemistry.
From another Ayodhya priest testing positive days ahead of Prime Minister Narendra Modi's visit, to the government issuing guidelines for gymnasiums and yoga centres ahead of their reopening from August 5 - here are the top news updates on the Covid-19 pandemic. The World Health Organisation has reportedly completed the groundwork in China for an investigation into the origin of the virus which causes the Covid-19 illness. WHO Director General, Tedros Adhanom Ghebreyesus, also warned the world that although there is hope of development of an effective vaccine, there is also the possibility that we might never have a 'silver bullet' against the disease. Meanwhile, South Korean envoy to India, Shin Bong-kil, said that India has always been important when it comes to vaccines and the country also has a strong pharmaceutical industry. A controversy has broken out over the admission of Union Home minister Amit Shah to a private hospital in Gurugram after he tested positive for Covid infection. Congress' Shashi Tharoor said that patronage of the powerful is important to maintain public faith in government institutions. India also crossed a milestone in its fight against the virus. The country passed the landmark of 2 crore total tests on August 2. Watch the full video for the other updates regarding the spread of the Sars-CoV-2 coronavirus.
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The Drugs Controller General of India (DCGI) has given approval to Serum Institute of India (SII), Pune, to conduct Phase II and III clinical trials of Oxford University. According to the World Health Organization (WHO), a number of vaccines are now in phase-3 clinical trials. Meanwhile, Chief Minister of Madhya Pradesh Shivraj Singh Chouhan on August 03 again tested positive for COVID-19 on the 10th day of his admission to hospital. Today, Andhra Pradesh reported 7,822 new COVID-19 cases, taking the total number of coronavirus cases in the state 1,66,586. Uttar Pradesh reported 4,473 new COVID-19 cases and 50 deaths in the last 24 hours, taking active cases to 40,191 and death toll to 1,778. Tamil Nadu reported 5,609 new COVID-19 cases and 109 deaths in the last 24 hours, taking total cases to 2,63,222 including 2,02,283 discharges and 4,241 deaths.
Despite vaccines in development, the head of the World Health Organization cautioned that the treatments had yet to prove effective and might only convey protection for a short time. This report produced by Zachary Goelman.
India on Friday saw a record daily spike with over 55,000 Covid-19 cases and has now overtaken countries like Italy, France and Spain in the death toll and is now at number 5 in the world. Though, the..
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Brazil, the second country in the world most affected by COVID-19, after the United States, registered 69,074 confirmed cases and 1,595 deaths from COVID-19 in the last 24 hours, figures that are a new..